N-(4-acetylphenyl)-3,4-dihydro-2H-quinoline-1-sulfonamide

C17H18N2O3S — CID 110865860

IUPACN-(4-acetylphenyl)-3,4-dihydro-2H-quinoline-1-sulfonamide
SMILESCC(=O)c1ccc(NS(=O)(=O)N2CCCc3ccccc32)cc1
InChIInChI=1S/C17H18N2O3S/c1-13(20)14-8-10-16(11-9-14)18-23(21,22)19-12-4-6-15-5-2-3-7-17(15)19/h2-3,5,7-11,18H,4,6,12H2,1H3
InChIKeyVLCSBCGBYIRYGW-UHFFFAOYSA-N
MW330.41 g/mol
LogP3.00
Rot. Bonds4

About N-(4-acetylphenyl)-3,4-dihydro-2H-quinoline-1-sulfonamide

N-(4-acetylphenyl)-3,4-dihydro-2H-quinoline-1-sulfonamide (PubChem CID 110865860) has the molecular formula C17H18N2O3S and a molecular weight of 330.41 g/mol. Its IUPAC name is N-(4-acetylphenyl)-3,4-dihydro-2H-quinoline-1-sulfonamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-3,4-dihydro-2H-quinoline-1-sulfonamide
PubChem CID110865860
Molecular FormulaC17H18N2O3S
Molecular Weight330.41 g/mol
Exact Mass330.10
IUPAC NameN-(4-acetylphenyl)-3,4-dihydro-2H-quinoline-1-sulfonamide
SMILESCC(=O)c1ccc(NS(=O)(=O)N2CCCc3ccccc32)cc1
InChIInChI=1S/C17H18N2O3S/c1-13(20)14-8-10-16(11-9-14)18-23(21,22)19-12-4-6-15-5-2-3-7-17(15)19/h2-3,5,7-11,18H,4,6,12H2,1H3
InChIKeyVLCSBCGBYIRYGW-UHFFFAOYSA-N
XLogP3.00
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-acetylanilino)-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 9080074
N-(2-cyanophenyl)-3,4-dihydro-2H-quinoline-1-sulfonamide
CID 110865909
1-methylsulfonyl-3,4-dihydro-2H-quinoline
CID 669103
1-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)piperazin-1-yl]ethanone
CID 110865632
1-(trifluoromethylsulfonyl)-3,4-dihydro-2H-quinoline
CID 15836554
N-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]acetamide
CID 720099
N-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]-2,3,4,5,6-pentamethylbenzenesulfonamide
CID 17264573
1-[4-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)piperidin-1-yl]sulfonylphenyl]ethanone
CID 17498465
1-(1-tert-butylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)ethanone
CID 102662224
1-(3,4-dihydro-2H-quinolin-1-yl)ethanone;ethane
CID 143423489
N-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]pyrrolidine-1-carboxamide
CID 22583370
1-(4-methylpiperazin-1-yl)sulfonyl-3,4-dihydro-2H-quinoline
CID 110865622

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-3,4-dihydro-2H-quinoline-1-sulfonamide?
The IUPAC name of N-(4-acetylphenyl)-3,4-dihydro-2H-quinoline-1-sulfonamide (CID 110865860) is N-(4-acetylphenyl)-3,4-dihydro-2H-quinoline-1-sulfonamide.
What is the SMILES notation for N-(4-acetylphenyl)-3,4-dihydro-2H-quinoline-1-sulfonamide?
The canonical SMILES for N-(4-acetylphenyl)-3,4-dihydro-2H-quinoline-1-sulfonamide is CC(=O)c1ccc(NS(=O)(=O)N2CCCc3ccccc32)cc1.
What is the InChIKey of N-(4-acetylphenyl)-3,4-dihydro-2H-quinoline-1-sulfonamide?
The InChIKey is VLCSBCGBYIRYGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3S/c1-13(20)14-8-10-16(11-9-14)18-23(21,22)19-12-4-6-15-5-2-3-7-17(15)19/h2-3,5,7-11,18H,4,6,12H2,1H3.
What are the key properties of N-(4-acetylphenyl)-3,4-dihydro-2H-quinoline-1-sulfonamide?
N-(4-acetylphenyl)-3,4-dihydro-2H-quinoline-1-sulfonamide has a molecular weight of 330.41 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-3,4-dihydro-2H-quinoline-1-sulfonamide is sourced from PubChem (CID 110865860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).